| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 31 | No |
None
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.01 | 8.55 | -42.34 | 2 | 6 | 1 | 67 | 423.533 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 7.08 | -44.91 | 0 | 6 | -1 | 69 | 421.517 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.31 | -51.65 | 1 | 6 | 0 | 70 | 422.525 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 6.32 | -8.83 | 1 | 6 | 0 | 66 | 422.525 | 6 | ↓ |
